Geometry & MOs

Info

ID:	442553
PubChem CID:	135252943
Reduced:	ON8C25H30 (1)
Stoich.:	AB8C25D30 (1)
Weight, g/mol:	295.016684
ΔH_f, kcal/mol:	83.05
Dipole, Da:	3.36
IP(EA), eV:	-8.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(4-chloro-3-methylphenyl)-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC=C(C=C2)C3=NC(=CN4C3=CC=N4)C5=CN(N=C5)C

DOS

IR

Vibrations